5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester
TL;DR: 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester (CAS 33975-33-6) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 1,3-dioxoisoindole-5-carboxylate
Also Known As: 4-Octadecyl trimellitimide, 4-Octadecyl trimellitimidate, 4-Octyloxycarbonyl-phthalimid, octyl 1,3-dioxoisoindole-5-carboxylate, BAS 00293676
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 33975-33-6 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)NC2=O |
| InChIKey | LOAMQZYJWUIALW-UHFFFAOYSA-N |
Product Overview
5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester (CAS 33975-33-6), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: octyl 1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester
Property Insights of 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester
The XLogP value of 4.0 indicates that 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester. Following Lipinski's Rule of Five, 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester?
The CAS number of 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester is 33975-33-6.
What is the molecular formula of 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester?
The molecular formula of 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester is C17H21NO4.
What is the molecular weight of 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester?
The molecular weight of 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester is 303.15 g/mol.
Where can I buy 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester?
You can request a quote for 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Isoindolinecarboxylic acid, 1,3-dioxo-, octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.